BDBM50220044 (1S,11S,13S,18R,20R,27S,29R,30R,31S,35E)-35-(2-hydroxyethylidene)-14,26-bis[(4-nitrophenyl)methyl]-19-phenyl-21-oxa-8,14,19,26-tetraazadecacyclo[24.5.2.2^{11,14}.0^{1,27}.0^{2,7}.0^{8,31}.0^{10,18}.0^{13,17}.0^{20,30}.0^{24,29}]pentatriaconta-2,4,6,9,23-pentaene-14,26-diium dibromide::CHEMBL415570

SMILES OC\C=C1\C[N+]2(Cc3ccc(cc3)[N+]([O-])=O)CCC3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@H]7[C@@]4(CC[N+]7(Cc4ccc(cc4)[N+]([O-])=O)CC6=CCO[C@H]5N([C@H]31)c1ccccc1)c1ccccc21

InChI Key InChIKey=YLVXKWTUSBUFLM-UHFFFAOYSA-N

Data  3 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50220044   

Target5-hydroxytryptamine receptor 3A(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50220044((1S,11S,13S,18R,20R,27S,29R,30R,31S,35E)-35-(2-hyd...)
Affinity DataIC50: 3.00E+4nMAssay Description:Antagonist activity at human 5HT3A receptor expressed in HEK293 cells by FMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50220044((1S,11S,13S,18R,20R,27S,29R,30R,31S,35E)-35-(2-hyd...)
Affinity DataIC50: 2.50E+3nMAssay Description:Antagonist activity at human alpha-7 nAChR in tsA201 cells coexpressed with Ric3 by FMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
TargetGlycine receptor subunit alpha-1(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50220044((1S,11S,13S,18R,20R,27S,29R,30R,31S,35E)-35-(2-hyd...)
Affinity DataIC50: 1.00E+5nMAssay Description:Antagonist activity at human glycine alpha-1 receptor in HEK293 cells by FMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50220044((1S,11S,13S,18R,20R,27S,29R,30R,31S,35E)-35-(2-hyd...)
Affinity DataKi:  100nMAssay Description:Displacement of [3H]methyllycaconitine from alpha7 nAChR in tsA201 cells co-expressed with Ric3More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50220044((1S,11S,13S,18R,20R,27S,29R,30R,31S,35E)-35-(2-hyd...)
Affinity DataKi:  110nMAssay Description:Displacement of [3H]methyllycaconitine from human alpha-7 in tsA201 cells coexpressed with 5HT3A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 3A(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50220044((1S,11S,13S,18R,20R,27S,29R,30R,31S,35E)-35-(2-hyd...)
Affinity DataKi:  1.00E+5nMAssay Description:Displacement of [3H]GR65630 from human 5HT3A receptor in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2012
Entry Details Article
PubMed